4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol

C18H28O — CID 65151412

IUPAC4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
SMILESCC1(C)CCCC(O)(CCCc2ccccc2)CC1
InChIInChI=1S/C18H28O/c1-17(2)11-7-13-18(19,15-14-17)12-6-10-16-8-4-3-5-9-16/h3-5,8-9,19H,6-7,10-15H2,1-2H3
InChIKeyKDXWDQJQFHTIBF-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.73
Rot. Bonds4

About 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol

4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol (PubChem CID 65151412) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
PubChem CID65151412
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
SMILESCC1(C)CCCC(O)(CCCc2ccccc2)CC1
InChIInChI=1S/C18H28O/c1-17(2)11-7-13-18(19,15-14-17)12-6-10-16-8-4-3-5-9-16/h3-5,8-9,19H,6-7,10-15H2,1-2H3
InChIKeyKDXWDQJQFHTIBF-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151218
1-(3-phenylpropyl)-4-propylcycloheptan-1-ol
CID 65151413
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
CID 65117177
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol
CID 12711957
2-(3-phenylpropyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65146680
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071
1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol
CID 65145717

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol (CID 65151412) is 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol is CC1(C)CCCC(O)(CCCc2ccccc2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol?
The InChIKey is KDXWDQJQFHTIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-17(2)11-7-13-18(19,15-14-17)12-6-10-16-8-4-3-5-9-16/h3-5,8-9,19H,6-7,10-15H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol?
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol is sourced from PubChem (CID 65151412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).